SCHEMBL28064040

SCHEMBL28064040

c1ccc(-c2csc(-c3nccs3)c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.49
KDM4E B2RXH2 7/20 0.43
RAB9A P51151 7/20 0.43
NPC1 O15118 4/20 0.43
MAPT P10636 3/20 0.43
GLA P06280 2/20 0.43
CYP19A1 P11511 2/20 0.41
PDE10A Q9Y233 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
ATM Q13315 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5356685 0.81 CYP19A1 (0.49) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL452340 0.79 KDM4E (0.57) PDPK1KDM4ERAB9ANPC1MAPT
Fluoride SCHEMBL27903468 0.77 KDM4E (0.55) PDPK1KDM4ERAB9ANPC1MAPT
Ammonia Solution, Strong SCHEMBL28442530 0.77 KDM4E (0.55) PDPK1KDM4ERAB9ANPC1MAPT
SCHEMBL752932 0.75 RAB9A (0.52) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL14106734 0.73 PDE10A (0.50) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL3344484 0.73 KDM4E (0.46) KDM4ERAB9ANPC1MAPTGLA
Hydrochloric Acid SCHEMBL15910677 0.71 PIK3CD (0.45) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL1489754 0.71 KDM4E (0.50) PDPK1KDM4ERAB9ANPC1MAPT
SCHEMBL6193707 0.70 CYP2A6 (0.44) KDM4ERAB9ANPC1MAPTGLA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105566313-A Synthesis method of ceftaroline fosamil intermediate 4-(4'-pyridyl)-1,3-thiazolyl-2-thiol SHAANXI SEER BIOTECHNOLOGY CO LTD 2016-05-11 CN disclosed
CN-105566313-A Synthesis method of ceftaroline fosamil intermediate 4-(4'-pyridyl)-1,3-thiazolyl-2-thiol SHAANXI SEER BIOTECHNOLOGY CO LTD 2016-05-11 CN disclosed